SCHEMBL25869084

SCHEMBL25869084

C=CC(=O)OCCCc1ccc(-c2ccc3c(c2)sc2cc(OC(=O)C=C)ccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.45
ESR1 P03372 3/20 0.38
TSHR P16473 4/20 0.36
HPGD P15428 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 1/20 0.35
ESR2 Q92731 2/20 0.35
MCL1 Q07820 1/20 0.34
MET P08581 4/20 0.33
AKR1B10 O60218 3/20 0.33
AKR1B1 P15121 3/20 0.33
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX5 P09917 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25867806 0.91 THRB (0.46) THRBESR1TSHRHPGDALDH1A1
SCHEMBL25854319 0.89 THRB (0.48) THRBESR1ESR2MCL1
SCHEMBL25854441 0.85 THRB (0.40) THRBESR1TSHRHPGDALDH1A1
SCHEMBL25854566 0.84 THRB (0.42) THRBESR1TSHRHPGDALDH1A1
SCHEMBL25854571 0.83 THRB (0.41) THRBESR1TSHRHPGDESR2
SCHEMBL25854316 0.83 THRB (0.41) THRBESR1TSHR
SCHEMBL17750819 0.83 THRB (0.62) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL9607904 0.83 THRB (0.62) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL25869383 0.83 THRB (0.35) THRBESR1TSHRALDH1A1CYP3A4
SCHEMBL25855041 0.83 THRB (0.38) THRBESR1TSHRHPGDALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023134598-A1 POLYMERISABLE COMPOUND, COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE 烟台显华科技集团股份有限公司 2023-07-20 WO disclosed